| SpectraBase Compound ID | EhguqwP49p2 |
|---|---|
| InChI | InChI=1S/C18H15F3O4/c1-2-24-16(22)13-8-4-5-9-14(13)17(23)25-11-12-7-3-6-10-15(12)18(19,20)21/h3-10H,2,11H2,1H3 |
| InChIKey | FIHWMMHVXCXDQV-UHFFFAOYSA-N |
| Mol Weight | 352.31 g/mol |
| Molecular Formula | C18H15F3O4 |
| Exact Mass | 352.092243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYDkbR29oUW |
|---|---|
| Name | Phthalic acid, ethyl 2-trifluoromethylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.092243448 u |
| Formula | C18H15F3O4 |
| InChI | InChI=1S/C18H15F3O4/c1-2-24-16(22)13-8-4-5-9-14(13)17(23)25-11-12-7-3-6-10-15(12)18(19,20)21/h3-10H,2,11H2,1H3 |
| InChIKey | FIHWMMHVXCXDQV-UHFFFAOYSA-N |
| Molecular Weight | 352.309 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCC)=O |